SCHEMBL682900

SCHEMBL682900

O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)ccc23)cc1)c1ccc2ccccc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 10/20 0.54
AURKB Q96GD4 7/20 0.54
DNMT1 P26358 5/20 0.53
DNMT3A Q9Y6K1 4/20 0.53
DNMT3L Q9UJW3 2/20 0.53
MAPK13 O15264 1/20 0.53
CHEK2 O96017 1/20 0.53
NTRK1 P04629 1/20 0.53
RET P07949 1/20 0.53
HCK P08631 1/20 0.53
FGFR1 P11362 1/20 0.53
FLT4 P35916 1/20 0.53
LIMK1 P53667 1/20 0.53
SIK1 P57059 1/20 0.53
TNK2 Q07912 1/20 0.53
WNK3 Q9BYP7 1/20 0.53
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
KDM4E B2RXH2 1/20 0.52
DEGS1 O15121 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL678601 0.94 DNMT1 (0.53) AURKAAURKBDNMT1DNMT3ADNMT3L
SCHEMBL679214 0.88 AURKA (0.64) AURKAAURKBDNMT1DNMT3ADNMT3L
SCHEMBL677593 0.87 AURKA (0.68) AURKAAURKBDNMT1DNMT3ADNMT3L
SCHEMBL678945 0.84 AURKA (0.68) AURKAAURKBDNMT1DNMT3ADNMT3L
SCHEMBL679078 0.84 MEN1 (0.51) AURKAAURKBDNMT1DNMT3ADNMT3L
SCHEMBL679223 0.83 AURKA (0.70) AURKAAURKBDNMT1DNMT3AMAPK13
SCHEMBL678911 0.83 DNMT1 (0.53) AURKAAURKBDNMT1DNMT3ADNMT3L
SCHEMBL678958 0.83 AURKA (0.54) AURKAAURKBDNMT1DNMT3ADNMT3L
SCHEMBL682903 0.83 AURKA (0.67) AURKAAURKBDNMT1DNMT3ADNMT3L
SCHEMBL678608 0.83 DNMT1 (0.54) AURKAAURKBDNMT1DNMT3ADNMT3L

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269758-A1 NAPHTHYRIDINONES AS PROTEIN KINASE INHIBITORS MERCK PATENT GMBH (DE) 2011-11-03 US disclosed
WO-2010002779-A2 NAPHTHYRIDININONES AS AURORA KINASE INHIBITORS MERCK SERONO S.A. (CH) 2010-01-07 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110269758-A1 NAPHTHYRIDINONES AS PROTEIN KINASE INHIBITORS AURKA, AURKC, AURKB AURKA 1/4885AURKB 3/4885DNMT1 1209/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.